N-cyclopentyl-2-[(4-ethenylphenyl)methyl]-1,5-dioxo-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-2-[(4-ethenylphenyl)methyl]-1,5-dioxo-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-cyclopentyl-2-[(4-ethenylphenyl)methyl]-1,5-dioxo-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F471-0095 |
| Compound Name: | N-cyclopentyl-2-[(4-ethenylphenyl)methyl]-1,5-dioxo-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 471.56 |
| Molecular Formula: | C27 H29 N5 O3 |
| Smiles: | CCCN1C2=NN(Cc3ccc(C=C)cc3)C(N2c2cc(ccc2C1=O)C(NC1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.305 |
| logD: | 4.305 |
| logSw: | -4.2065 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.69 |
| InChI Key: | OKRVSCAJTTVELP-UHFFFAOYSA-N |